![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -290.5014020 | -290.7978526 | 0.2964506 | 0.0000000 | 290.7978526 | ||||||
cm-1 | 4757.1 | 4562.8 | 194.3 | ||||||||
eV | -7904.945 | 0.590 | -7904.355 | -7913.012 | 0.566 | -7912.446 | 8.067 | 0.024 | 8.091 | 0.000 | 7913.012 |